Samuel Cryan ’22, Geosciences

Samuel Cryan ’22

Major

Geosciences

Project Title

Theoretical Simulations of Calcium Complexes in Seawater

Presentation Link

View Samuel's Presentation

Certificate(s): Environmental Studies

I worked on a project analyzing how the various ions in seawater affect the formation of calcium carbonate. Calcium carbonate is an important building material in the ocean, especially as a protective shell for organisms such as corals and coccolithophores. I investigated the effect of chlorine on the properties of calcium in an aqueous environment. I conducted simulations of calcium chloride solutions at various concentrations of calcium and chlorine using the GROMACS molecular dynamics software package. I examined the radial distribution function, coordination number of chlorine and calcium, and the residence time of the water around the calcium and chlorine to gain an understanding of how the reactivity of calcium changes in the presence of chlorine. I also examined the speciation of calcium chloride based on various concentrations and engaged in a literature review of molecular simulations. I gained a greater appreciation for the role of computer analysis in research and greatly improved my coding ability, which I plan to further develop during my time at Princeton as I search for more opportunities to apply it to scientific research.